6-fluoro-2-phenyl-3,1-benzoxazin-4-one

C14H8FNO2 — CID 10014554

IUPAC6-fluoro-2-phenyl-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C14H8FNO2/c15-10-6-7-12-11(8-10)14(17)18-13(16-12)9-4-2-1-3-5-9/h1-8H
InChIKeyAVVLQMQNHQFOAC-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.99
Rot. Bonds1

About 6-fluoro-2-phenyl-3,1-benzoxazin-4-one

6-fluoro-2-phenyl-3,1-benzoxazin-4-one (PubChem CID 10014554) has the molecular formula C14H8FNO2 and a molecular weight of 241.22 g/mol. Its IUPAC name is 6-fluoro-2-phenyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-fluoro-2-phenyl-3,1-benzoxazin-4-one
PubChem CID10014554
Molecular FormulaC14H8FNO2
Molecular Weight241.22 g/mol
Exact Mass241.05
IUPAC Name6-fluoro-2-phenyl-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C14H8FNO2/c15-10-6-7-12-11(8-10)14(17)18-13(16-12)9-4-2-1-3-5-9/h1-8H
InChIKeyAVVLQMQNHQFOAC-UHFFFAOYSA-N
XLogP2.99
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-phenyl-3,1-benzoxazin-4-one?
The IUPAC name of 6-fluoro-2-phenyl-3,1-benzoxazin-4-one (CID 10014554) is 6-fluoro-2-phenyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-fluoro-2-phenyl-3,1-benzoxazin-4-one?
The canonical SMILES for 6-fluoro-2-phenyl-3,1-benzoxazin-4-one is O=c1oc(-c2ccccc2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-phenyl-3,1-benzoxazin-4-one?
The InChIKey is AVVLQMQNHQFOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2/c15-10-6-7-12-11(8-10)14(17)18-13(16-12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 6-fluoro-2-phenyl-3,1-benzoxazin-4-one?
6-fluoro-2-phenyl-3,1-benzoxazin-4-one has a molecular weight of 241.22 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-phenyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 10014554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).